8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate

C30H22Cl2F8N6O6 — CID 161452850

IUPAC8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate
SMILESCCOC(=O)COc1cc(N2C(=O)C=C(C(F)(F)F)N3CCN=C32)c(F)cc1Cl.O=C1C=C(C(F)(F)F)N2CCN=C2N1c1cc(O)c(Cl)cc1F
InChIInChI=1S/C17H14ClF4N3O4.C13H8ClF4N3O2/c1-2-28-15(27)8-29-12-6-11(10(19)5-9(12)18)25-14(26)7-13(17(20,21)22)24-4-3-23-16(24)25;14-6-3-7(15)8(4-9(6)22)21-11(23)5-10(13(16,17)18)20-2-1-19-12(20)21/h5-7H,2-4,8H2,1H3;3-5,22H,1-2H2
InChIKeyWATLKIZBNVNFEL-UHFFFAOYSA-N
MW785.43 g/mol
LogP5.53
Rot. Bonds6

About 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate

8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate (PubChem CID 161452850) has the molecular formula C30H22Cl2F8N6O6 and a molecular weight of 785.43 g/mol. Its IUPAC name is 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate.

Molecular Properties

Compound Name8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate
PubChem CID161452850
Molecular FormulaC30H22Cl2F8N6O6
Molecular Weight785.43 g/mol
Exact Mass784.09
IUPAC Name8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate
SMILESCCOC(=O)COc1cc(N2C(=O)C=C(C(F)(F)F)N3CCN=C32)c(F)cc1Cl.O=C1C=C(C(F)(F)F)N2CCN=C2N1c1cc(O)c(Cl)cc1F
InChIInChI=1S/C17H14ClF4N3O4.C13H8ClF4N3O2/c1-2-28-15(27)8-29-12-6-11(10(19)5-9(12)18)25-14(26)7-13(17(20,21)22)24-4-3-23-16(24)25;14-6-3-7(15)8(4-9(6)22)21-11(23)5-10(13(16,17)18)20-2-1-19-12(20)21/h5-7H,2-4,8H2,1H3;3-5,22H,1-2H2
InChIKeyWATLKIZBNVNFEL-UHFFFAOYSA-N
XLogP5.53
TPSA127.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.43
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate with MolForge

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Related Compounds

8-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one
CID 158867899
[2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenyl]sulfanyl-1-ethoxyethylidene]oxidanium
CID 162547773
ethyl 2-chloro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]benzoate
CID 70223916
ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate
CID 59875313
8-(4-chlorophenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one
CID 59940596
methyl 7-chloro-5-fluoro-3-methyl-4-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]-2,3-dihydro-1-benzofuran-2-carboxylate
CID 54249062
4-chloro-5-(2-ethoxy-2-oxoethoxy)-2-fluorobenzenediazonium
CID 139822544
ethyl 2-[[3-[2-amino-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3H-pyridin-1-yl]phenoxy]-2-pyridinyl]oxy]acetate
CID 139914652
ethyl 2-[2-chloro-5-(trifluoromethyl)phenoxy]acetate
CID 83409150
ethyl 2-[2-chloro-4-fluoro-5-(4-oxo-1,2,3-benzotriazin-3-yl)phenoxy]acetate
CID 139226417
2-[4-chloro-5-(2-chloroprop-2-enoxy)-2-fluorophenyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one;2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 160842098
methyl 2-[2-[2-chloro-5-[2,6-dioxo-4-(trifluoromethyl)-3H-pyridin-1-yl]-4-fluorophenoxy]pyrimidin-4-yl]oxyacetate
CID 139914637

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate?
The IUPAC name of 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate (CID 161452850) is 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate.
What is the SMILES notation for 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate?
The canonical SMILES for 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate is CCOC(=O)COc1cc(N2C(=O)C=C(C(F)(F)F)N3CCN=C32)c(F)cc1Cl.O=C1C=C(C(F)(F)F)N2CCN=C2N1c1cc(O)c(Cl)cc1F.
What is the InChIKey of 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate?
The InChIKey is WATLKIZBNVNFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF4N3O4.C13H8ClF4N3O2/c1-2-28-15(27)8-29-12-6-11(10(19)5-9(12)18)25-14(26)7-13(17(20,21)22)24-4-3-23-16(24)25;14-6-3-7(15)8(4-9(6)22)21-11(23)5-10(13(16,17)18)20-2-1-19-12(20)21/h5-7H,2-4,8H2,1H3;3-5,22H,1-2H2.
What are the key properties of 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate?
8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate has a molecular weight of 785.43 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-7-one;ethyl 2-[2-chloro-4-fluoro-5-[7-oxo-5-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-8-yl]phenoxy]acetate is sourced from PubChem (CID 161452850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).